SCHEMBL4022438

SCHEMBL4022438

Cc1ccc(F)c(C2[C@@H](C(=O)c3cccc(O)c3)CN(CCN(C)S(C)(=O)=O)C[C@@H]2C(=O)c2cccc(O)c2)c1F

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.33
OPRM1 P35372 3/20 0.33
OPRD1 P41143 3/20 0.33
KCNH2 Q12809 2/20 0.32
MCHR1 Q99705 1/20 0.32
KIF11 P52732 3/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
BCHE P06276 1/20 0.31
MGLL Q99685 2/20 0.30
HTR7 P34969 1/20 0.30
KDM2B Q8NHM5 2/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4020283 0.88 KDM1A (0.34) KDM1AOPRM1OPRD1KCNH2MCHR1
SCHEMBL4021860 0.87 MEN1 (0.34) OPRM1OPRD1KCNH2KIF11MEN1
SCHEMBL13721487 0.85 OPRM1 (0.35) KDM1AOPRM1OPRD1KCNH2MCHR1
SCHEMBL4028041 0.85 OPRM1 (0.35) KDM1AOPRM1OPRD1KCNH2MCHR1
SCHEMBL4028045 0.85 OPRM1 (0.35) KDM1AOPRM1OPRD1KCNH2MCHR1
SCHEMBL4772539 0.82 OPRM1 (0.34) KDM1AOPRM1OPRD1KCNH2MCHR1
SCHEMBL4751548 0.82 OPRM1 (0.34) KDM1AOPRM1OPRD1KCNH2MCHR1
SCHEMBL4751549 0.82 OPRM1 (0.34) KDM1AOPRM1OPRD1KCNH2MCHR1
SCHEMBL4027285 0.82 MEN1 (0.35) KDM1AOPRM1OPRD1KCNH2MCHR1
SCHEMBL4021304 0.81 HRH3 (0.30)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572814-B2 3,5-dibenzoyl-4-phenyl-piperidine anti-cancer compounds CYTOKINETICS, INCORPORATED (US) 2009-08-11 US claimed